Information card for entry 7044702

Structure parameters

• Formula: C5 H14 Cl3 K N2 O12
• Calculated formula: C5 H14 Cl3 K N2 O12
• Title of publication: Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite
• Authors of publication: Sun, Yu-Ling; Shi, Chao; Zhang, Wen
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 10.739 ± 0.011 Å
• b: 9.967 ± 0.011 Å
• c: 14.35 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.3235
• Weighted residual factors for all reflections included in the refinement: 0.3286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No